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3-oxoacyl-[acyl carrier protein] reductase from thermus thermophilus TT0137

Analyse 3-oxoacyl-[acyl carrier protein] reductase from thermus thermophilus TT0137 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2A4K
Type: protein
Length: 439 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-oxoacyl-[acyl carrier protein] reductase
EC: 1.1.1.100
Ligands: UNX
Pockets: 3 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-oxoacyl-[acyl carrier protein] reductase (EC 1.1.1.100)	protein	237	48% helix, 16% strand	—
B	3-oxoacyl-[acyl carrier protein] reductase (EC 1.1.1.100)	protein	202	48% helix, 19% strand	—

Ligands and binding sites

UNX · Unknown atom or ion · ion · 28 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	480	0.70	0.80	55	UNX
2	195	0.56	0.80	26	UNX
3	78	0.40	0.79	23	UNX

Interfaces

1 interface between chains.

A–B · 1514 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

2A4K · 3-Oxoacyl-[acyl carrier protein] reductase from Thermus thermophilus TT0137 · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 2A4K · PDBe 2A4K

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